methyl 3-[[3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]benzoate CAS Name: 3-[[[3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]benzoate Traditional Name: 3-[[3-(2,3-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]benzoic acid methyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)OC)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)OC)NC2=S)C

InChI

InChI=1S/C25H21N3O4S/c1-14-6-4-9-21(15(14)2)28-23(30)19-11-10-16(13-20(19)27-25(28)33)22(29)26-18-8-5-7-17(12-18)24(31)32-3/h4-13H,1-3H3,(H,26,29)(H,27,33)